[Pw_forum] (no subject)

[Stefano Baroni]

On Apr 23, 2009, at 3:57 AM, sd.wang000 wrote:

> Dear all users:
> I have calculated phonons at Gamma point,and I found erro following：
>
>      from phq_readin : error #        17
>      reading inputph namelist
>
>      stopping ...
>
> The input file is：
> phonons of NaCoO at Gamma
>  &inputph
>   tr2_ph=1.0d-14,
>   prefix='pwscf',
>   epsil=.true.,
>   amass(Na)=22.989,
>   amass(Co)=58.999,
>   amass(O)=15.999,

a minimum proficiency in FORTRAN would help anybody willing to do  
numerical simulations ...

as the syntax clearly indicates, "amass" is an array. in fortran you  
can only address elements in an aray by their (numerical) position:  
amass(1), amass(2), amass(3), ...

As Stefano de Gironcoli (as well as zillions of others) was  
suggesting, providing your name and affiliation is considered a sign  
of respect in this mailng list. please, stick at this custom, if you  
can.

Stefano Baroni

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale  
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